[4-[(3-methoxybenzoyl)amino]phenyl] propanoate

C17H17NO4 — CID 44522641

IUPAC[4-[(3-methoxybenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H17NO4/c1-3-16(19)22-14-9-7-13(8-10-14)18-17(20)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyIMUVMZZMNSQPHZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.26
Rot. Bonds5

About [4-[(3-methoxybenzoyl)amino]phenyl] propanoate

[4-[(3-methoxybenzoyl)amino]phenyl] propanoate (PubChem CID 44522641) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[(3-methoxybenzoyl)amino]phenyl] propanoate.

Molecular Properties

Compound Name[4-[(3-methoxybenzoyl)amino]phenyl] propanoate
PubChem CID44522641
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[4-[(3-methoxybenzoyl)amino]phenyl] propanoate
SMILESCCC(=O)Oc1ccc(NC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C17H17NO4/c1-3-16(19)22-14-9-7-13(8-10-14)18-17(20)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyIMUVMZZMNSQPHZ-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methoxybenzoyl)amino]phenyl] propanoate?
The IUPAC name of [4-[(3-methoxybenzoyl)amino]phenyl] propanoate (CID 44522641) is [4-[(3-methoxybenzoyl)amino]phenyl] propanoate.
What is the SMILES notation for [4-[(3-methoxybenzoyl)amino]phenyl] propanoate?
The canonical SMILES for [4-[(3-methoxybenzoyl)amino]phenyl] propanoate is CCC(=O)Oc1ccc(NC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of [4-[(3-methoxybenzoyl)amino]phenyl] propanoate?
The InChIKey is IMUVMZZMNSQPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-16(19)22-14-9-7-13(8-10-14)18-17(20)12-5-4-6-15(11-12)21-2/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of [4-[(3-methoxybenzoyl)amino]phenyl] propanoate?
[4-[(3-methoxybenzoyl)amino]phenyl] propanoate has a molecular weight of 299.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxybenzoyl)amino]phenyl] propanoate is sourced from PubChem (CID 44522641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).